NSC 87877 - ≥98%(HPLC) , CAS No.56990-57-9

CAS: 56990-57-9 Cat. No.: N288675 분자식: C₁₉H₁₃N₃O₇S₂ 분자량: 459.45 EC 번호: 637-218-6

GRADE & PURITY ≥98%(HPLC)

Synonyms

8-oxo-7-[(6-sulfo-2-naphthalenyl)hydrazinylidene]-5-quinolinesulfonic acid | CCG-37311 | NCIStruc1_001562 | NCI60_041943 | NSC 87877 | 2-fluoro-4-chlorophenylboronic acid | A899784 | CHEBI:95064 | Q27166834 | 8-hydroxy-7-((6-sulfo-2-naphthyl)diazenyl)-5-q

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

product description：

Shp2 /shp1 PTP inhibitor

Specifications

동의어

8-oxo-7-[(6-sulfo-2-naphthalenyl)hydrazinylidene]-5-quinolinesulfonic acid | CCG-37311 | NCIStruc1_001562 | NCI60_041943 | NSC 87877 | 2-fluoro-4-chlorophenylboronic acid | A899784 | CHEBI:95064 | Q27166834 | 8-hydroxy-7-((6-sulfo-2-naphthyl)diazenyl)-5-q

사양 및 순도

≥98%(HPLC)

생화학 및 생리적 메커니즘

Potent inhibitor of shp2 and shp1 protein tyrosine phosphatases (PTP) (IC50values are 0.318, 0.355, 1.691, 7.745, 65.617, 84.473 and 150.930μM for shp2, shp1, PTP1B, HePTP, DEP1, CD45 and LAR respectively). Inhibits EGF-induced Erk1/2 activation in HEK293

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥98%(HPLC)

이름과 식별자

Pubchem Sid

528766330

정식 스마일

C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O

IUPAC Name

8-hydroxy-7-[(6-sulfonaphthalen-2-yl)diazenyl]quinoline-5-sulfonic acid

InChIKey

XGMFVZOKHBRUTL-UHFFFAOYSA-N

INCHI

1S/C19H13N3O7S2/c23-19-16(10-17(31(27,28)29)15-2-1-7-20-18(15)19)22-21-13-5-3-12-9-14(30(24,25)26)6-4-11(12)8-13/h1-10,23H,(H,24,25,26)(H,27,28,29)

이성체 SMILES

C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O

분자량

459.45

Reaxy-Rn

464616

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=464616&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Level5 Naphthalene sulfonates
          • Level6 2-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 2-naphthalene sulfonates
• Alternative Parents: 2-naphthalene sulfonic acids and derivatives 8-hydroxyquinolines 1-sulfo,2-unsubstituted aromatic compounds Phenols Pyridines and derivatives Sulfonyls Organosulfonic acids Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 8-hydroxyquinoline - Quinoline - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Phenol - Pyridine - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azo compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 용해성: Solvent:water, Max Conc. mg/mL: 22.97, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 9.19, Max Conc. mM: 20
• 분자량: 459.500 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 459.019 Da
• Monoisotopic Mass: 459.019 Da
• Topological Polar Surface Area: 183.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 883.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1